ChemSpider 2D Image | Ethyl 4-[N-(cyclohexylmethyl)-N-(4-fluorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate | C27H35FN2O4

Ethyl 4-[N-(cyclohexylmethyl)-N-(4-fluorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC27H35FN2O4
  • Average mass470.576 Da
  • Monoisotopic mass470.258087 Da
  • ChemSpider ID22640137

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrrole-2-carboxylic acid, 4-[2-[(cyclohexylmethyl)(4-fluorobenzoyl)amino]acetyl]-1-ethyl-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-[N-(Cyclohexylméthyl)-N-(4-fluorobenzoyl)glycyl]-1-éthyl-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[N-(cyclohexylmethyl)-N-(4-fluorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-[N-(cyclohexylmethyl)-N-(4-fluorbenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 635.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.1±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19941.48
ACD/KOC (pH 5.5): 41624.86
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19941.48
ACD/KOC (pH 7.4): 41624.86
Polar Surface Area: 69 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 400.6±7.0 cm3

Click to predict properties on the Chemicalize site


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